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Compound Detail

CHEMBL1205785

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CC(C)c1sc(-c2ccccc2)c(-c2cccc(C(F)(F)F)c2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)O

Basic Information

ChEMBL ID CHEMBL1205785
Phase Preclinical
Structure Type MOL
InChI Key PFAXPTGCEKXRRF-LKWCPCFXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

504.6
MW (Da)
6.82
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.30
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27F3O4S
MW 504.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness 0.03

Data from ChEMBL 36 via Core Engine